| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:30 UTC |
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| Update Date | 2025-03-21 18:05:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056208 |
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| Frequency | 61.6 |
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| Structure | |
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| Chemical Formula | C9H8N2O5 |
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| Molecular Mass | 224.0433 |
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| SMILES | O=C(O)CNC(=O)c1cccc([N+](=O)[O-])c1 |
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| InChI Key | GSVGZXWNWOCWGJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylbenzamideorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundhippuric acid or derivativesbenzoic acid or derivativesorganic 1,3-dipolar compoundcarboxamide groupn-acylglycinearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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